Iyyappa Rajan Panneerselvam

collaborators

2 papers

cond-mat.mtrl-sci2026

Ultrafast Nonthermal Lattice Destabilization and Suppression of Polar Optical Scattering in Electronically Excited $I^\pm$ -SiO $_{2}$ from First-Principles and Deep Neural Network Potential Modeling

Iyyappa Rajan Panneerselvam, Mark Yeung, Charlotte Palmer +2

We present a multiscale first-principles-to-machine-learning approach to investigate ultrafast lattice dynamics in electronically excited $I^\pm$ -SiO $_{2}$ . Ab initio molecular dynamics…

cond-mat.mtrl-sci2025

Exogenous Metal Cations in the Synthesis of CsPbBr3 Nanocrystals and their Interplay with Tertiary Amines

Zhanzhao Li, Luca Goldoni, Ye Wu +9

Current syntheses of CsPbBr3 halide perovskite nanocrystals (NCs) rely on over-stoichiometric amounts of Pb2+ precursors, resulting in unreacted lead ions at the end of the process…

Ultrafast Nonthermal Lattice Destabilization and Suppression of Polar Optical Scattering in Electronically Excited I^±-SiO2​ from First-Principles and Deep Neural Network Potential Modeling

Exogenous Metal Cations in the Synthesis of CsPbBr3 Nanocrystals and their Interplay with Tertiary Amines

Ultrafast Nonthermal Lattice Destabilization and Suppression of Polar Optical Scattering in Electronically Excited $I^\pm$ -SiO $_{2}$ from First-Principles and Deep Neural Network Potential Modeling